SCHEMBL9619682

SCHEMBL9619682

c1cc(Oc2ccc(CSCC3CO3)cc2)ccc1CSCC1CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.37
MMP1 P03956 2/20 0.35
MMP2 P08253 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 3/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9196423 0.86 CRBN (0.50) CRBNMMP1MMP2TP53TSHR
SCHEMBL10865471 0.79 CRBN (0.44) CRBNTDP1MAPTMEN1KMT2A
SCHEMBL1425747 0.75 TDP1 (0.39) MMP1MMP2TDP1TP53TSHR
SCHEMBL6305833 0.75 TDP1 (0.39) MMP1MMP2TDP1TP53TSHR
SCHEMBL2770834 0.75 HDAC1 (0.33) KMT2AHDAC1
SCHEMBL1402656 0.74 ACHE (0.39) CRBNTDP1TP53TSHRALDH1A1
SCHEMBL93324 0.72 MEN1 (0.45) MMP1MMP2TDP1TP53TSHR
SCHEMBL1402444 0.69 TDP1 (0.38) TDP1TP53TSHRALDH1A1HPGD
SCHEMBL10187482 0.69 TDP1 (0.52) TDP1TP53TSHRALDH1A1HIF1A
SCHEMBL10187441 0.69 TDP1 (0.47) TDP1TP53TSHRALDH1A1HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467826-A2 Linear polymers CIBA-GEIGY AG (CH) 1992-01-22 EP disclosed
EP-0456608-A2 Essentially linear polymers CIBA-GEIGY AG (CH) 1991-11-13 EP disclosed